SCHEMBL6259929

SCHEMBL6259929

COc1cccc(-c2cc(N)ccc2OC)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.56
ALDH1A1 P00352 2/20 0.56
CYP1A1 P04798 1/20 0.53
CYP1A2 P05177 1/20 0.53
CYP2E1 P05181 1/20 0.53
CYP2C8 P10632 1/20 0.53
CYP2D6 P10635 1/20 0.53
CYP2A6 P11509 1/20 0.53
CYP2C9 P11712 1/20 0.53
CYP4B1 P13584 1/20 0.53
CYP2B6 P20813 1/20 0.53
CYP3A5 P20815 1/20 0.53
CYP2A7 P20853 1/20 0.53
CYP3A7 P24462 1/20 0.53
CYP2F1 P24903 1/20 0.53
CYP2C18 P33260 1/20 0.53
CYP2C19 P33261 1/20 0.53
CYP2J2 P51589 1/20 0.53
CYP4F2 P78329 1/20 0.53
CYP4F8 P98187 1/20 0.53

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL3789262 0.88 FYN (0.51) CYP3A4ALDH1A1CYP1A1CYP1A2CYP2E1
SCHEMBL977870 0.87 HDAC4 (0.60) CYP3A4ALDH1A1CYP1A1CYP1A2CYP2E1
SCHEMBL6571024 0.85 CYP3A4 (0.58) CYP3A4ALDH1A1CYP1A1CYP1A2CYP2E1
Hydrochloric Acid SCHEMBL6570983 0.83 ALDH1A1 (0.56) CYP3A4ALDH1A1CYP1A1CYP1A2CYP2E1
SCHEMBL654302 0.82 PTGDR2 (0.57) ALDH1A1ADORA1MAOBKDM4ELMNA
SCHEMBL30112655 0.82 CYP3A4 (0.69) CYP3A4ALDH1A1CYP1A1CYP1A2CYP2E1
SCHEMBL8862673 0.82 CYP3A4 (0.55) CYP3A4ALDH1A1CYP1A1CYP1A2CYP2E1
SCHEMBL6572257 0.82 FYN (0.55) CYP3A4ALDH1A1HDAC4HDAC2HDAC8
SCHEMBL3841461 0.82 PDE4D (0.52) ALDH1A1TDO2FYNSMN1; SMN2PDE4B
SCHEMBL6572598 0.82 ALDH1A1 (0.59) CYP3A4ALDH1A1CYP1A1CYP1A2CYP2E1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 13 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1066257-A2 HETEROCYLIC CLASSES OF COMPOUNDS FOR THE MODULATING TYROSINE PROTEIN KINASE Sugen, Inc. (US) 2001-01-10 EP claimed
WO-1999048868-A9 HETEROCYCLIC CLASSES OF COMPOUNDS FOR THE MODULATING TYROSINE PROTEIN KINASE SUGEN INC (US) 2000-04-20 WO claimed
WO-1999048868-A2 HETEROCYCLIC CLASSES OF COMPOUNDS FOR THE MODULATING TYROSINE PROTEIN KINASE SUGEN, INC. (US) 1999-09-30 WO claimed
EP-3066072-B1 BIPHENYLAMIDE DERIVATIVE HSP90 INHIBITORS UNIV KANSAS (US) 2021-11-03 EP disclosed
US-20160272584-A1 BIPHENYLAMIDE DERIVATIVE HSP90 INHIBITORS UNIVERSITY OF KANSAS (US) 2016-09-22 US disclosed
US-20160272584-A1 BIPHENYLAMIDE DERIVATIVE HSP90 INHIBITORS UNIVERSITY OF KANSAS (US) 2016-09-22 US disclosed
WO-2015070091-A1 BIPHENYLAMIDE DERIVATIVE HSP90 INHIBITORS THE UNIVERSITY OF KANSAS (US) 2015-05-14 WO disclosed
US-20140221455-A1 DIFFERENTIATION MODULATING AGENTS AND USES THEREFOR Verva Pharmaceuticals, Inc. (AU) 2014-08-07 US disclosed
US-20050282733-A1 Differentiation modulating agents and uses therefor VERVA PHARMACEUTICALS PTY LTD (AU) 2005-12-22 US disclosed
WO-2005065686-A1 DIFFERENTIATION MODULATING AGENTS AND USES THEREFOR ADIPOGEN PHARMACEUTICALS PTY LIMITED (AU) 2005-07-21 WO disclosed
EP-1066257-A2 HETEROCYLIC CLASSES OF COMPOUNDS FOR THE MODULATING TYROSINE PROTEIN KINASE Sugen, Inc. (US) 2001-01-10 EP disclosed
WO-1999048868-A9 HETEROCYCLIC CLASSES OF COMPOUNDS FOR THE MODULATING TYROSINE PROTEIN KINASE SUGEN INC (US) 2000-04-20 WO disclosed
WO-1999048868-A2 HETEROCYCLIC CLASSES OF COMPOUNDS FOR THE MODULATING TYROSINE PROTEIN KINASE SUGEN, INC. (US) 1999-09-30 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20050282733-A1 Differentiation modulating agents and uses therefor FGF1, FABP4, FGF2 CYP3A4 4854/4885ALDH1A1 1103/4885CYP1A1 4723/4885
US-20160272584-A1 BIPHENYLAMIDE DERIVATIVE HSP90 INHIBITORS HSP90AB1, HSP90AA1, HSP90AB2P CYP3A4 1167/4885ALDH1A1 847/4885CYP1A1 84/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.